methyl 4-hydroxy-2-nonenoate
TL;DR: methyl 4-hydroxy-2-nonenoate (CAS 84478-57-9) is a chemical compound with molecular formula C15H13BrFNO3 and molecular weight 353.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Also Known As: methyl 4-hydroxy-2-nonenoate, 1H-Isoindole-1,3(2H)-dione, 2-(4-bromo-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydro-, 2-(4-bromo-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione, 2-(4-BROMO-2-FLUORO-5-METHOXYPHENYL)-4,5,6,7-TETRAHYDRO-1H-ISOINDOLE-1,3(2H)-DIONE, N-(4-bromo-2-fluoro-5-methoxyphenyl)-3,4,5,6-tetrahydrophthalimide
| Molecular Formula | C15H13BrFNO3 |
|---|---|
| Molecular Weight | 353.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.0063 |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 84478-57-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)Br |
| InChIKey | AONOJGSDLZFBLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 4-hydroxy-2-nonenoate (CAS 84478-57-9), with molecular formula C15H13BrFNO3 and molecular weight 353.01 g/mol. IUPAC: 2-(4-bromo-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of methyl 4-hydroxy-2-nonenoate
Property Insights of methyl 4-hydroxy-2-nonenoate
The XLogP value of 3.2 indicates that methyl 4-hydroxy-2-nonenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, methyl 4-hydroxy-2-nonenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-hydroxy-2-nonenoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-hydroxy-2-nonenoate?
The CAS number of methyl 4-hydroxy-2-nonenoate is 84478-57-9.
What is the molecular formula of methyl 4-hydroxy-2-nonenoate?
The molecular formula of methyl 4-hydroxy-2-nonenoate is C15H13BrFNO3.
What is the molecular weight of methyl 4-hydroxy-2-nonenoate?
The molecular weight of methyl 4-hydroxy-2-nonenoate is 353.01 g/mol.
Where can I buy methyl 4-hydroxy-2-nonenoate?
You can request a quote for methyl 4-hydroxy-2-nonenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-hydroxy-2-nonenoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-hydroxy-2-nonenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.